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Compound Detail

CHEMBL1956899

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c1ccc([C@@H]2CO[C@H](C3=NCCN3)CO2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1956899
Phase Preclinical
Structure Type MOL
InChI Key MPFNVJVLRBBPHX-RYUDHWBXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

232.3
MW (Da)
1.14
ALogP
4
HBA
1
HBD
42.9
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H16N2O2
MW 232.28
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness 0.17

Literature References

PubMed DOI Target Context # Activities
22370341 10.1016/j.bmc.2012.02.016 Alpha-2A adrenergic receptor 2
22370341 10.1016/j.bmc.2012.02.016 Alpha-2B adrenergic receptor 2
22370341 10.1016/j.bmc.2012.02.016 Alpha-2C adrenergic receptor 2

Data from ChEMBL 36 via Core Engine